(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride

C17H25ClN2O2 — CID 120920621

IUPAC(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1(c2ccccc2)CCC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-13-15(18-10-11-21-13)16(20)19-12-17(8-5-9-17)14-6-3-2-4-7-14;/h2-4,6-7,13,15,18H,5,8-12H2,1H3,(H,19,20);1H/t13-,15+;/m1./s1
InChIKeyFMESNBZHKOMZJT-PBCQUBLHSA-N
MW324.85 g/mol
LogP2.02
Rot. Bonds4

About (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120920621) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120920621
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1(c2ccccc2)CCC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-13-15(18-10-11-21-13)16(20)19-12-17(8-5-9-17)14-6-3-2-4-7-14;/h2-4,6-7,13,15,18H,5,8-12H2,1H3,(H,19,20);1H/t13-,15+;/m1./s1
InChIKeyFMESNBZHKOMZJT-PBCQUBLHSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587
(2R,3S)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927212
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120934792
(2R,3S)-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927859
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
CID 120937497
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 120920621) is (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCC1(c2ccccc2)CCC1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is FMESNBZHKOMZJT-PBCQUBLHSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-13-15(18-10-11-21-13)16(20)19-12-17(8-5-9-17)14-6-3-2-4-7-14;/h2-4,6-7,13,15,18H,5,8-12H2,1H3,(H,19,20);1H/t13-,15+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).